data_LACS ################################# # LACS Output Information # ################################# ############################################################ # LACS Designator Definition # # # # Index Value Definition # # # # 0 Outliers # # 1 Normal points # # # ############################################################ save_LACS_CACB_CA_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5208_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CA _LACS_plot.Line_1_terminator_val_x_1 -8.06 _LACS_plot.Line_1_terminator_val_y_1 -3.51 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.37 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.87 _LACS_plot.Line_2_terminator_val_x_2 8.05 _LACS_plot.Line_2_terminator_val_y_2 5.38 _LACS_plot.Y_axis_chem_shift_offset 0.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 HIS -5.39 1.60 0 10 MET 3.11 1.19 1 11 LEU 4.19 2.84 1 12 GLN 2.93 2.81 1 13 MET 2.66 3.67 1 14 GLN 4.17 3.51 1 15 ASP 4.26 3.24 1 16 ILE 5.32 3.75 1 17 VAL 6.22 4.64 1 18 LEU 6.03 3.06 1 19 ASN 3.98 2.81 1 20 GLU 3.58 1.65 1 21 VAL 6.91 4.79 1 22 LYS 3.84 2.02 1 23 LYS 3.48 2.13 1 24 LEU 1.60 1.75 1 25 ASP -1.27 0.00 1 27 GLU 0.70 -0.62 1 28 TYR 0.61 1.97 1 29 ILE -0.49 -0.10 1 30 ALA -5.10 -2.95 1 31 THR -1.65 -0.15 1 32 VAL 2.82 0.35 1 36 PHE 3.73 2.98 1 37 ARG 5.59 2.38 1 38 ARG 1.83 -0.22 1 40 ALA -0.53 0.00 1 41 GLU 2.24 1.35 1 42 SER -2.58 -1.18 1 43 SER -4.07 -0.23 1 45 ASP -1.85 -1.63 1 46 MET -1.66 -0.65 1 47 ASP -2.10 -1.92 1 48 VAL -1.25 -1.09 1 49 LEU 0.15 -0.55 1 50 LEU -6.97 -2.07 1 51 THR 0.28 -0.84 1 54 ASN 1.66 0.30 1 55 PHE -2.72 -3.13 1 56 THR -3.50 -1.88 1 58 GLU 0.06 -0.41 1 59 SER -0.60 -0.39 1 60 SER 0.90 0.03 1 61 LYS 1.65 0.41 1 62 GLN -2.76 -2.88 1 64 LYS 4.10 1.90 1 65 LEU 1.70 1.66 1 66 LEU 2.13 0.85 1 67 HIS 2.51 3.91 1 68 ARG 4.04 2.92 1 69 VAL 5.32 3.55 1 70 VAL 6.10 4.14 1 71 GLU 3.13 1.74 1 72 GLN 4.37 1.89 1 73 LEU 3.62 1.42 1 74 GLN 4.05 2.77 1 75 LYS 5.45 3.44 1 76 VAL 1.72 -1.36 1 77 ARG 6.46 0.86 1 78 PHE 0.76 0.93 1 79 ILE 0.17 -0.82 1 80 THR 1.64 0.02 1 81 ASP -3.04 -0.51 1 82 THR -0.17 0.64 1 83 LEU 2.12 0.57 1 84 SER -0.63 -0.81 1 85 LYS -0.94 -0.67 1 87 GLU 2.52 2.46 1 88 THR -1.22 -1.18 1 89 LYS -2.11 -0.45 1 90 PHE -4.47 -1.94 1 91 MET -4.30 -1.67 1 93 VAL -4.18 -2.28 1 95 GLN -4.61 -1.45 1 96 LEU 0.80 -0.28 1 98 SER -2.26 -1.67 1 99 GLU 0.05 -0.26 1 100 ASN -0.06 -0.15 1 101 ASP 1.72 0.82 1 102 GLU -0.08 -0.39 1 103 ASN -0.70 -0.52 1 104 GLU -0.78 -0.79 1 105 TYR 2.18 1.34 1 107 HIS 1.42 1.81 1 108 ARG -5.27 -4.15 1 109 ARG 1.47 -0.54 1 110 ILE -6.22 -3.97 1 111 ASP -3.90 -2.41 1 112 ILE -2.94 -1.39 1 113 ARG -3.59 -2.05 1 114 LEU -2.75 -1.59 1 115 ILE -4.87 -1.87 1 117 LYS 5.89 3.77 1 118 ASP 2.87 0.15 1 119 GLN 0.18 -0.21 1 120 TYR 3.70 4.09 1 121 TYR 8.06 5.71 1 124 VAL 4.74 3.63 1 125 LEU 3.83 3.71 1 126 TYR 4.31 3.35 1 127 PHE 6.20 3.17 1 128 THR 6.52 4.59 1 130 SER -1.37 0.85 1 131 ASP 4.36 3.27 1 132 ILE 4.20 2.28 1 133 PHE 5.38 3.93 1 134 ASN 3.96 2.40 1 135 LYS 5.01 3.27 1 136 ASN 4.23 2.09 1 137 MET 6.20 3.43 1 138 ARG 5.17 3.59 1 139 ALA 3.89 2.10 1 140 HIS 4.33 4.22 1 141 ALA 4.34 2.67 1 142 LEU 3.79 2.67 1 143 GLU 3.32 1.96 1 144 LYS -0.36 -2.68 1 146 PHE -4.35 -1.32 1 147 THR -3.69 -3.73 1 148 ILE -3.86 -1.69 1 149 ASN -1.45 -2.35 1 150 GLU 3.92 1.52 1 151 TYR -2.60 -0.04 1 152 THR -6.70 -1.61 1 153 ILE -3.66 -2.45 1 154 ARG -4.97 -2.65 1 156 LEU -1.96 -1.65 1 158 VAL 3.36 1.90 1 159 THR 0.27 -0.93 1 161 VAL 0.03 -0.85 1 162 ALA -0.06 -0.73 1 164 GLU 1.55 0.39 1 166 LEU 0.94 -0.75 1 168 VAL -2.10 0.30 1 169 ASP -1.95 -0.54 1 170 SER -1.48 -1.77 1 171 GLU 2.45 3.64 1 172 GLN 6.74 3.95 1 173 ASP 3.78 3.03 1 174 ILE 6.19 4.69 1 175 PHE 7.43 4.56 1 176 ASP 4.79 2.85 1 177 TYR 5.11 3.31 1 178 ILE 0.66 -1.18 1 179 GLN 4.57 0.67 1 180 TRP -8.06 -4.45 1 181 ARG 1.70 -0.08 1 182 TYR 5.27 4.20 1 186 LYS 3.75 0.93 1 187 ASP -0.21 -0.57 1 188 ARG 1.52 -0.87 1 189 SER 4.18 2.38 1 190 GLU -0.69 0.54 1 stop_ save_ save_LACS_CACB_CB_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5208_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CB _LACS_plot.Line_1_terminator_val_x_1 -8.06 _LACS_plot.Line_1_terminator_val_y_1 4.55 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 -1.63 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 0.13 _LACS_plot.Line_2_terminator_val_x_2 8.05 _LACS_plot.Line_2_terminator_val_y_2 -2.67 _LACS_plot.Y_axis_chem_shift_offset 0.41 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 52 HIS -5.39 6.99 0 10 MET 3.11 -1.92 1 11 LEU 4.19 -1.35 1 12 GLN 2.93 -0.12 1 13 MET 2.66 1.01 1 14 GLN 4.17 -0.66 1 15 ASP 4.26 -1.02 1 16 ILE 5.32 -1.57 1 17 VAL 6.22 -1.58 1 18 LEU 6.03 -2.97 1 19 ASN 3.98 -1.17 1 20 GLU 3.58 -1.93 1 21 VAL 6.91 -2.12 1 22 LYS 3.84 -1.82 1 23 LYS 3.48 -1.35 1 24 LEU 1.60 0.15 1 25 ASP -1.27 1.27 1 27 GLU 0.70 -1.32 1 28 TYR 0.61 1.36 1 29 ILE -0.49 0.39 1 30 ALA -5.10 2.15 1 31 THR -1.65 1.50 1 32 VAL 2.82 -2.47 1 36 PHE 3.73 -0.75 1 37 ARG 5.59 -3.21 1 38 ARG 1.83 -2.05 1 40 ALA -0.53 0.53 1 41 GLU 2.24 -0.89 1 42 SER -2.58 1.40 1 43 SER -4.07 3.84 1 45 ASP -1.85 0.22 1 46 MET -1.66 1.01 1 47 ASP -2.10 0.18 1 48 VAL -1.25 0.16 1 49 LEU 0.15 -0.70 1 50 LEU -6.97 4.90 1 51 THR 0.28 -1.12 1 54 ASN 1.66 -1.36 1 55 PHE -2.72 -0.41 1 56 THR -3.50 1.62 1 58 GLU 0.06 -0.47 1 59 SER -0.60 0.21 1 60 SER 0.90 -0.87 1 61 LYS 1.65 -1.24 1 62 GLN -2.76 -0.12 1 64 LYS 4.10 -2.20 1 65 LEU 1.70 -0.04 1 66 LEU 2.13 -1.28 1 67 HIS 2.51 1.40 1 68 ARG 4.04 -1.12 1 69 VAL 5.32 -1.77 1 70 VAL 6.10 -1.96 1 71 GLU 3.13 -1.39 1 72 GLN 4.37 -2.48 1 73 LEU 3.62 -2.20 1 74 GLN 4.05 -1.28 1 75 LYS 5.45 -2.01 1 76 VAL 1.72 -3.08 1 77 ARG 6.46 -5.60 1 78 PHE 0.76 0.17 1 79 ILE 0.17 -0.99 1 80 THR 1.64 -1.62 1 81 ASP -3.04 2.53 1 82 THR -0.17 0.81 1 83 LEU 2.12 -1.55 1 84 SER -0.63 -0.18 1 85 LYS -0.94 0.27 1 87 GLU 2.52 -0.06 1 88 THR -1.22 0.04 1 89 LYS -2.11 1.66 1 90 PHE -4.47 2.53 1 91 MET -4.30 2.63 1 93 VAL -4.18 1.90 1 95 GLN -4.61 3.16 1 96 LEU 0.80 -1.08 1 98 SER -2.26 0.59 1 99 GLU 0.05 -0.31 1 100 ASN -0.06 -0.09 1 101 ASP 1.72 -0.90 1 102 GLU -0.08 -0.31 1 103 ASN -0.70 0.18 1 104 GLU -0.78 -0.01 1 105 TYR 2.18 -0.84 1 107 HIS 1.42 0.39 1 108 ARG -5.27 1.12 1 109 ARG 1.47 -2.01 1 110 ILE -6.22 2.25 1 111 ASP -3.90 1.49 1 112 ILE -2.94 1.55 1 113 ARG -3.59 1.54 1 114 LEU -2.75 1.16 1 115 ILE -4.87 3.00 1 117 LYS 5.89 -2.12 1 118 ASP 2.87 -2.72 1 119 GLN 0.18 -0.39 1 120 TYR 3.70 0.39 1 121 TYR 8.06 -2.35 1 124 VAL 4.74 -1.11 1 125 LEU 3.83 -0.12 1 126 TYR 4.31 -0.96 1 127 PHE 6.20 -3.03 1 128 THR 6.52 -1.93 1 130 SER -1.37 2.22 1 131 ASP 4.36 -1.09 1 132 ILE 4.20 -1.92 1 133 PHE 5.38 -1.45 1 134 ASN 3.96 -1.56 1 135 LYS 5.01 -1.74 1 136 ASN 4.23 -2.14 1 137 MET 6.20 -2.77 1 138 ARG 5.17 -1.58 1 139 ALA 3.89 -1.79 1 140 HIS 4.33 -0.11 1 141 ALA 4.34 -1.67 1 142 LEU 3.79 -1.12 1 143 GLU 3.32 -1.36 1 144 LYS -0.36 -2.32 1 146 PHE -4.35 3.03 1 147 THR -3.69 -0.04 1 148 ILE -3.86 2.17 1 149 ASN -1.45 -0.90 1 150 GLU 3.92 -2.40 1 151 TYR -2.60 2.56 1 152 THR -6.70 5.09 1 153 ILE -3.66 1.21 1 154 ARG -4.97 2.32 1 156 LEU -1.96 0.31 1 158 VAL 3.36 -1.46 1 159 THR 0.27 -1.20 1 161 VAL 0.03 -0.88 1 162 ALA -0.06 -0.67 1 164 GLU 1.55 -1.16 1 166 LEU 0.94 -1.69 1 168 VAL -2.10 2.40 1 169 ASP -1.95 1.41 1 170 SER -1.48 -0.29 1 171 GLU 2.45 1.19 1 172 GLN 6.74 -2.79 1 173 ASP 3.78 -0.75 1 174 ILE 6.19 -1.50 1 175 PHE 7.43 -2.87 1 176 ASP 4.79 -1.94 1 177 TYR 5.11 -1.80 1 178 ILE 0.66 -1.84 1 179 GLN 4.57 -3.90 1 180 TRP -8.06 3.61 1 181 ARG 1.70 -1.78 1 182 TYR 5.27 -1.07 1 186 LYS 3.75 -2.82 1 187 ASP -0.21 -0.36 1 188 ARG 1.52 -2.39 1 189 SER 4.18 -1.80 1 190 GLU -0.69 1.23 1 stop_ save_ save_LACS_CACB_CO_output _LACS_plot.Sf_category LACS_output _LACS.plot.Input_file_name bmr5208_21.str _LACS_plot.X_coord_name CA-CB _LACS_plot.Y_coord_name CO _LACS_plot.Line_1_terminator_val_x_1 -8.06 _LACS_plot.Line_1_terminator_val_y_1 -3.71 _LACS_plot.Line_1_terminator_val_x_2 2.00 _LACS_plot.Line_1_terminator_val_y_2 0.71 _LACS_plot.Line_2_terminator_val_x_1 -2.00 _LACS_plot.Line_2_terminator_val_y_1 -1.00 _LACS_plot.Line_2_terminator_val_x_2 8.05 _LACS_plot.Line_2_terminator_val_y_2 2.87 _LACS_plot.Y_axis_chem_shift_offset 0.20 loop_ _LACS.Comp_index_ID _LACS.Comp_ID _LACS.X_coord_val _LACS.Y_coord_val _LACS.Designator 128 THR 6.52 -1.91 0 77 ARG 6.46 -2.15 0 180 TRP -8.06 0.22 0 10 MET 3.11 2.95 1 11 LEU 4.19 2.20 1 12 GLN 2.93 3.18 1 13 MET 2.66 0.63 1 14 GLN 4.17 0.08 1 15 ASP 4.26 1.88 1 16 ILE 5.32 1.26 1 17 VAL 6.22 0.94 1 18 LEU 6.03 2.87 1 19 ASN 3.98 3.21 1 20 GLU 3.58 3.31 1 21 VAL 6.91 0.36 1 22 LYS 3.84 1.92 1 23 LYS 3.48 2.25 1 24 LEU 1.60 0.49 1 25 ASP -1.27 0.92 1 27 GLU 0.70 2.11 1 28 TYR 0.61 1.66 1 29 ILE -0.49 -2.36 1 30 ALA -5.10 -2.16 1 31 THR -1.65 -1.23 1 32 VAL 2.82 0.46 1 36 PHE 3.73 3.87 1 37 ARG 5.59 -0.06 1 38 ARG 1.83 -1.05 1 40 ALA -0.53 1.22 1 41 GLU 2.24 -0.72 1 42 SER -2.58 -1.33 1 43 SER -4.07 -1.23 1 45 ASP -1.85 -3.67 1 46 MET -1.66 -3.46 1 47 ASP -2.10 -1.77 1 48 VAL -1.25 -2.23 1 49 LEU 0.15 -1.54 1 50 LEU -6.97 -3.60 1 51 THR 0.28 -3.05 1 52 HIS -5.39 1.02 1 54 ASN 1.66 -0.02 1 55 PHE -2.72 -3.15 1 56 THR -3.50 0.89 1 58 GLU 0.06 0.00 1 60 SER 0.90 0.05 1 61 LYS 1.65 -0.35 1 62 GLN -2.76 -2.75 1 64 LYS 4.10 1.32 1 65 LEU 1.70 2.81 1 66 LEU 2.13 0.29 1 67 HIS 2.51 3.13 1 68 ARG 4.04 2.86 1 69 VAL 5.32 0.45 1 70 VAL 6.10 1.06 1 71 GLU 3.13 3.12 1 72 GLN 4.37 1.75 1 73 LEU 3.62 2.76 1 74 GLN 4.05 3.99 1 75 LYS 5.45 2.63 1 76 VAL 1.72 -1.26 1 78 PHE 0.76 0.07 1 79 ILE 0.17 -0.09 1 80 THR 1.64 0.22 1 81 ASP -3.04 -1.58 1 82 THR -0.17 -1.45 1 83 LEU 2.12 -0.48 1 84 SER -0.63 -2.46 1 85 LYS -0.94 -2.05 1 87 GLU 2.52 0.57 1 88 THR -1.22 -0.65 1 89 LYS -2.11 -2.79 1 90 PHE -4.47 -2.59 1 91 MET -4.30 -1.21 1 93 VAL -4.18 -2.17 1 95 GLN -4.61 -1.56 1 96 LEU 0.80 -1.72 1 98 SER -2.26 0.58 1 99 GLU 0.05 -0.10 1 100 ASN -0.06 -0.33 1 101 ASP 1.72 -0.04 1 102 GLU -0.08 -0.62 1 103 ASN -0.70 -0.74 1 104 GLU -0.78 0.08 1 105 TYR 2.18 -0.40 1 107 HIS 1.42 2.01 1 108 ARG -5.27 -0.64 1 109 ARG 1.47 -2.17 1 110 ILE -6.22 -4.48 1 111 ASP -3.90 -0.86 1 112 ILE -2.94 -1.87 1 113 ARG -3.59 -2.52 1 114 LEU -2.75 -2.91 1 115 ILE -4.87 -1.85 1 117 LYS 5.89 1.88 1 118 ASP 2.87 0.33 1 119 GLN 0.18 0.86 1 120 TYR 3.70 0.51 1 121 TYR 8.06 2.35 1 124 VAL 4.74 2.85 1 125 LEU 3.83 2.56 1 126 TYR 4.31 3.63 1 127 PHE 6.20 2.58 1 131 ASP 4.36 2.63 1 132 ILE 4.20 1.15 1 133 PHE 5.38 1.33 1 134 ASN 3.96 3.18 1 135 LYS 5.01 2.95 1 136 ASN 4.23 3.35 1 137 MET 6.20 1.49 1 138 ARG 5.17 2.86 1 139 ALA 3.89 2.68 1 140 HIS 4.33 2.81 1 141 ALA 4.34 1.85 1 142 LEU 3.79 4.04 1 143 GLU 3.32 1.81 1 144 LYS -0.36 -0.93 1 146 PHE -4.35 -2.21 1 147 THR -3.69 -1.25 1 148 ILE -3.86 -2.04 1 149 ASN -1.45 -1.35 1 150 GLU 3.92 -3.12 1 151 TYR -2.60 0.45 1 152 THR -6.70 -1.90 1 153 ILE -3.66 -3.37 1 154 ARG -4.97 -1.18 1 156 LEU -1.96 -0.26 1 158 VAL 3.36 1.31 1 159 THR 0.27 0.66 1 161 VAL 0.03 -0.05 1 162 ALA -0.06 0.49 1 164 GLU 1.55 -0.43 1 166 LEU 0.94 -0.11 1 168 VAL -2.10 -0.92 1 169 ASP -1.95 -2.59 1 170 SER -1.48 -0.41 1 171 GLU 2.45 2.83 1 172 GLN 6.74 1.10 1 173 ASP 3.78 1.27 1 174 ILE 6.19 0.94 1 175 PHE 7.43 1.82 1 176 ASP 4.79 4.46 1 177 TYR 5.11 1.40 1 178 ILE 0.66 -3.09 1 179 GLN 4.57 -0.83 1 181 ARG 1.70 -0.29 1 182 TYR 5.27 -0.78 1 186 LYS 3.75 0.07 1 187 ASP -0.21 -0.12 1 188 ARG 1.52 -0.92 1 189 SER 4.18 0.96 1 190 GLU -0.69 2.10 1 stop_ save_